(1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine

C12H21N3O2 — CID 99834686

IUPAC(1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOCc1noc(CN[C@H]2CCCC2(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-12(2)6-4-5-9(12)13-7-11-14-10(8-16-3)15-17-11/h9,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeySVMWYCQKVZPMBS-VIFPVBQESA-N
MW239.32 g/mol
LogP1.88
Rot. Bonds5

About (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine

(1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 99834686) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID99834686
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOCc1noc(CN[C@H]2CCCC2(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-12(2)6-4-5-9(12)13-7-11-14-10(8-16-3)15-17-11/h9,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeySVMWYCQKVZPMBS-VIFPVBQESA-N
XLogP1.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine (CID 99834686) is (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine is COCc1noc(CN[C@H]2CCCC2(C)C)n1.
What is the InChIKey of (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is SVMWYCQKVZPMBS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2)6-4-5-9(12)13-7-11-14-10(8-16-3)15-17-11/h9,13H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine?
(1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 99834686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).